CID 4198743

5-cyanothiophene-2-boronic acid

Structural Information

Molecular Formula

C₅H₄BNO₂S

SMILES

B(C1=CC=C(S1)C#N)(O)O

InChI

InChI=1S/C5H4BNO2S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,8-9H

InChIKey

ZEOMEPSYIIQIND-UHFFFAOYSA-N

Compound name

(5-cyanothiophen-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 564
Patents: 153.00558 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.01286	134.8
[M+Na]+	175.99480	145.7
[M-H]-	151.99830	137.1
[M+NH4]+	171.03940	155.0
[M+K]+	191.96874	143.1
[M+H-H2O]+	136.00284	123.8
[M+HCOO]-	198.00378	149.2
[M+CH3COO]-	212.01943	181.2
[M+Na-2H]-	173.98025	136.2
[M]+	153.00503	130.5
[M]-	153.00613	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe